SCHEMBL3787205

SCHEMBL3787205

CCCCc1cc(N)cc(B(O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
LPL P06858 8/20 0.51
LIPG Q9Y5X9 8/20 0.51
TRPV1 Q8NER1 1/20 0.47
MGLL Q99685 1/20 0.47
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS2 P35354 3/20 0.40
CYP3A4 P08684 1/20 0.40
SKP2 Q13309 1/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ENPP2 Q13822 1/20 0.37
GPR84 Q9NQS5 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3793759 0.89 LPL (0.52) CA1CA2LPLLIPGTRPV1
SCHEMBL3786679 0.81 LPL (0.48) CA1CA2LPLLIPGTRPV1
SCHEMBL11616670 0.80 HPGD (0.50) CA1CA2NPC1HPGDMAPK1
SCHEMBL10492558 0.80 HPGD (0.50) CA1CA2NPC1HPGDMAPK1
SCHEMBL31591819 0.79 LIPG (0.69) CA1CA2LPLLIPGTRPV1
SCHEMBL15285373 0.76 PTGS2 (0.64) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL3784998 0.75 ENPP2 (0.50) LPLLIPGKDM4EALDH1A1ENPP2
SCHEMBL7895255 0.74 PTGS2 (0.56) CA1CA2NPC1HPGDMAPK1
SCHEMBL28579097 0.74 PTGS2 (0.56) CA1CA2NPC1HPGDMAPK1
SCHEMBL10799509 0.74 LTA4H (0.50) CA1CA2LPLLIPGHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CA1 3273/4885CA2 1992/4885LPL 3816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.